1-[(E)-2-ethylbut-2-enyl]imidazolidine

C9H18N2 — CID 70169389

IUPAC1-[(E)-2-ethylbut-2-enyl]imidazolidine
SMILESC/C=C(\CC)CN1CCNC1
InChIInChI=1S/C9H18N2/c1-3-9(4-2)7-11-6-5-10-8-11/h3,10H,4-8H2,1-2H3/b9-3+
InChIKeyAESZIKSELAJXTG-YCRREMRBSA-N
MW154.26 g/mol
LogP1.21
Rot. Bonds3

About 1-[(E)-2-ethylbut-2-enyl]imidazolidine

1-[(E)-2-ethylbut-2-enyl]imidazolidine (PubChem CID 70169389) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-[(E)-2-ethylbut-2-enyl]imidazolidine.

Molecular Properties

Compound Name1-[(E)-2-ethylbut-2-enyl]imidazolidine
PubChem CID70169389
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-[(E)-2-ethylbut-2-enyl]imidazolidine
SMILESC/C=C(\CC)CN1CCNC1
InChIInChI=1S/C9H18N2/c1-3-9(4-2)7-11-6-5-10-8-11/h3,10H,4-8H2,1-2H3/b9-3+
InChIKeyAESZIKSELAJXTG-YCRREMRBSA-N
XLogP1.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-ethylbut-2-enyl]imidazolidine?
The IUPAC name of 1-[(E)-2-ethylbut-2-enyl]imidazolidine (CID 70169389) is 1-[(E)-2-ethylbut-2-enyl]imidazolidine.
What is the SMILES notation for 1-[(E)-2-ethylbut-2-enyl]imidazolidine?
The canonical SMILES for 1-[(E)-2-ethylbut-2-enyl]imidazolidine is C/C=C(\CC)CN1CCNC1.
What is the InChIKey of 1-[(E)-2-ethylbut-2-enyl]imidazolidine?
The InChIKey is AESZIKSELAJXTG-YCRREMRBSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-9(4-2)7-11-6-5-10-8-11/h3,10H,4-8H2,1-2H3/b9-3+.
What are the key properties of 1-[(E)-2-ethylbut-2-enyl]imidazolidine?
1-[(E)-2-ethylbut-2-enyl]imidazolidine has a molecular weight of 154.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-ethylbut-2-enyl]imidazolidine is sourced from PubChem (CID 70169389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).